3-(diethylsulfamoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide

C24H33N3O3S — CID 17485125

IUPAC3-(diethylsulfamoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)c1
InChIInChI=1S/C24H33N3O3S/c1-3-27(4-2)31(29,30)23-10-8-9-22(17-23)24(28)25-18-20-11-13-21(14-12-20)19-26-15-6-5-7-16-26/h8-14,17H,3-7,15-16,18-19H2,1-2H3,(H,25,28)
InChIKeyXHPMCBIFDOUUPR-UHFFFAOYSA-N
MW443.61 g/mol
LogP3.63
Rot. Bonds9

About 3-(diethylsulfamoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide

3-(diethylsulfamoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 17485125) has the molecular formula C24H33N3O3S and a molecular weight of 443.61 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID17485125
Molecular FormulaC24H33N3O3S
Molecular Weight443.61 g/mol
Exact Mass443.22
IUPAC Name3-(diethylsulfamoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)c1
InChIInChI=1S/C24H33N3O3S/c1-3-27(4-2)31(29,30)23-10-8-9-22(17-23)24(28)25-18-20-11-13-21(14-12-20)19-26-15-6-5-7-16-26/h8-14,17H,3-7,15-16,18-19H2,1-2H3,(H,25,28)
InChIKeyXHPMCBIFDOUUPR-UHFFFAOYSA-N
XLogP3.63
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 26446820
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24504058
N-(1,3-benzodioxol-5-ylmethyl)-3-(diethylsulfamoyl)benzamide
CID 2082413
N-[[4-(methylsulfamoyl)phenyl]methyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 47517219
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide
CID 7603385
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 24549133
N-[4-(diethylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 41468608
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzamide;hydrochloride
CID 119691040
3-(dimethylsulfamoyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 100626204
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(diethylsulfamoyl)benzamide
CID 31739195
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 2597746

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide (CID 17485125) is 3-(diethylsulfamoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is XHPMCBIFDOUUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S/c1-3-27(4-2)31(29,30)23-10-8-9-22(17-23)24(28)25-18-20-11-13-21(14-12-20)19-26-15-6-5-7-16-26/h8-14,17H,3-7,15-16,18-19H2,1-2H3,(H,25,28).
What are the key properties of 3-(diethylsulfamoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
3-(diethylsulfamoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 443.61 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 17485125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).